This open source library contains a set of molecular systems of interest for the UIBCDF. They are ready to be simulated with OpenMM in your own workflow. Or if you prefer, you can take advange of the tools here to run some fast tests or simulations.
This project is under an MIT License. A copy of the license text is included in this repository.
Copyright (c) 2020-2022 The Mexico Children's Hospital Federico Gómez, its Unit of Research on Computational Biology and Drug Design, and authors.
Project based on the Computational Molecular Science Python Cookiecutter version 1.5.
A complete list of contributors can be found checking the insights section of this repository.
The main project authors and major contributors are:
- Liliana M. Moreno Vargas
- Diego Prada Gracia